2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide

C12H16N4O2 — CID 55081109

IUPAC2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H16N4O2/c1-18-6-5-9(13)12(17)15-10-4-2-3-8-7-14-16-11(8)10/h2-4,7,9H,5-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyKNUKSHQLNKJBLE-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.87
Rot. Bonds5

About 2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide

2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide (PubChem CID 55081109) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide
PubChem CID55081109
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H16N4O2/c1-18-6-5-9(13)12(17)15-10-4-2-3-8-7-14-16-11(8)10/h2-4,7,9H,5-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyKNUKSHQLNKJBLE-UHFFFAOYSA-N
XLogP0.87
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1H-indazol-7-yl)-3-methoxypropanamide
CID 81082479
2-amino-N-(1H-indazol-4-yl)-4-methoxybutanamide
CID 55080535
(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 79012424
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
N-(1H-indazol-7-yl)-5-methoxypentanamide
CID 86871615
(2S)-2-bromo-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 93266562
ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate
CID 110471105
4-hydroxy-N-(1H-indazol-7-yl)pentanamide
CID 79200987
2-[(2-amino-4-methoxybutanoyl)amino]benzamide
CID 55080862
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
CID 62473419
N-(1H-indazol-7-yl)butanamide
CID 36575526
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide (CID 55081109) is 2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide is COCCC(N)C(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of 2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide?
The InChIKey is KNUKSHQLNKJBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-18-6-5-9(13)12(17)15-10-4-2-3-8-7-14-16-11(8)10/h2-4,7,9H,5-6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide?
2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide has a molecular weight of 248.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide is sourced from PubChem (CID 55081109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).